3,3-bis(trifluoromethyl)oxetane

C5H4F6O — CID 56991310

IUPAC3,3-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)COC1
InChIInChI=1S/C5H4F6O/c6-4(7,8)3(1-12-2-3)5(9,10)11/h1-2H2
InChIKeyZUDHOMQYOCPKMN-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.13
Rot. Bonds

About 3,3-bis(trifluoromethyl)oxetane

3,3-bis(trifluoromethyl)oxetane (PubChem CID 56991310) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 3,3-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3,3-bis(trifluoromethyl)oxetane
PubChem CID56991310
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name3,3-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)COC1
InChIInChI=1S/C5H4F6O/c6-4(7,8)3(1-12-2-3)5(9,10)11/h1-2H2
InChIKeyZUDHOMQYOCPKMN-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Bis(fluoromethyl)oxetane
CID 12603408
3-(Difluor-aminomethyl)-3-methyloxetane
CID 129735476
1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane
CID 87600988
1,1,1,2,3,3,3-Heptafluoro-2-(fluoromethoxymethyl)propane
CID 19063489
3-(Trifluoromethyl)oxetane
CID 21411162
2,2,3-Trifluoro-3-methyloxetane
CID 58421232
2,2,4-Trifluoro-3-(trifluoromethyl)oxetane
CID 59194260
2,2-Difluoro-3-(fluoromethyl)-3-methyloxetane
CID 59426560
2,2-Difluoro-3-(trifluoromethyl)oxetane
CID 59837085
3-Methyl-3-(trifluoromethyl)oxetane
CID 60055097
3-(Difluoromethyl)oxetane
CID 67239723
1,1,1,2-Tetrafluoro-2-(fluoromethoxy)ethane;2,2,3,3-tetrafluorooxetane
CID 88340796

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(trifluoromethyl)oxetane?
The IUPAC name of 3,3-bis(trifluoromethyl)oxetane (CID 56991310) is 3,3-bis(trifluoromethyl)oxetane.
What is the SMILES notation for 3,3-bis(trifluoromethyl)oxetane?
The canonical SMILES for 3,3-bis(trifluoromethyl)oxetane is FC(F)(F)C1(C(F)(F)F)COC1.
What is the InChIKey of 3,3-bis(trifluoromethyl)oxetane?
The InChIKey is ZUDHOMQYOCPKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c6-4(7,8)3(1-12-2-3)5(9,10)11/h1-2H2.
What are the key properties of 3,3-bis(trifluoromethyl)oxetane?
3,3-bis(trifluoromethyl)oxetane has a molecular weight of 194.07 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 56991310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).